SCHEMBL31609083

SCHEMBL31609083

C[C@H](NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@@H](N)CCCCN)[C@@H](C)O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.42
CTSD P07339 2/20 0.42
NMT2 O60551 1/20 0.42
NMT1 P30419 1/20 0.42
FURIN P09958 2/20 0.41
GSR P00390 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
KDM1A O60341 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28220832 0.92 GSR (0.47) BACE1CTSDFURINGSRDPP8
SCHEMBL28220840 0.92 GSR (0.47) BACE1CTSDFURINGSRDPP8
SCHEMBL31188429 0.92 GSR (0.47) BACE1CTSDNMT2NMT1GSR
SCHEMBL28453999 0.90 GSR (0.44) NMT2NMT1GSRDPP8DPP9
SCHEMBL30567425 0.90 NMT1 (0.45) NMT2NMT1FURINGSRDPP8
SCHEMBL28453993 0.90 GSR (0.44) NMT2NMT1GSRDPP8DPP9
SCHEMBL31593274 0.90 FURIN (0.47) BACE1NMT2NMT1FURINKDM1A
SCHEMBL7922664 0.90 CTSD (0.41) BACE1CTSDFURINGSRDPP8
SCHEMBL7922670 0.90 CTSD (0.41) BACE1CTSDFURINGSRDPP8
SCHEMBL827832 0.89 NMT2 (0.45) NMT2NMT1FURINGSRDPP8

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4122926-B1 TRIAZINE DERIVATIVES HAVING VIRUS REPLICATION INHIBITORY ACTIVITY AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME SHIONOGI & CO (JP) 2025-06-04 EP disclosed